2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid

C8H16N2O4S — CID 122071260

IUPAC2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)N1CCC1
InChIInChI=1S/C8H16N2O4S/c1-2-4-10(7-8(11)12)15(13,14)9-5-3-6-9/h2-7H2,1H3,(H,11,12)
InChIKeyGAADBVGTFNUPOZ-UHFFFAOYSA-N
MW236.29 g/mol
LogP-0.27
Rot. Bonds6

About 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid

2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid (PubChem CID 122071260) has the molecular formula C8H16N2O4S and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
PubChem CID122071260
Molecular FormulaC8H16N2O4S
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC Name2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)S(=O)(=O)N1CCC1
InChIInChI=1S/C8H16N2O4S/c1-2-4-10(7-8(11)12)15(13,14)9-5-3-6-9/h2-7H2,1H3,(H,11,12)
InChIKeyGAADBVGTFNUPOZ-UHFFFAOYSA-N
XLogP-0.27
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methoxyethyl(pyrrolidin-1-ylsulfonyl)amino]acetic acid
CID 54969399
1-(dipropylsulfamoyl)piperidine-3-carboxylic acid
CID 43169481
N-propyl-N-prop-2-ynylpyrrolidine-1-sulfonamide
CID 78942640
3-hydroxy-N,N-dipropylpiperidine-1-sulfonamide
CID 43502985
N-butyl-N-(2-chloroethyl)azepane-1-sulfonamide
CID 63396937
2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
methyl 2-[(3-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 54942106
N-butyl-N-ethylpiperidine-1-sulfonamide
CID 86920062
4-amino-N,N-dipropylpiperidine-1-sulfonamide
CID 43556362
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 61006916
2-[2-methylpropyl(morpholin-4-ylsulfonyl)amino]acetic acid
CID 62033516

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid?
The IUPAC name of 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid (CID 122071260) is 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid is CCCN(CC(=O)O)S(=O)(=O)N1CCC1.
What is the InChIKey of 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid?
The InChIKey is GAADBVGTFNUPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4S/c1-2-4-10(7-8(11)12)15(13,14)9-5-3-6-9/h2-7H2,1H3,(H,11,12).
What are the key properties of 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid?
2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid has a molecular weight of 236.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-1-ylsulfonyl(propyl)amino]acetic acid is sourced from PubChem (CID 122071260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).